2-[6-(1-adamantyl)-3-cyano-4-(trifluoromethyl)pyridin-2-yl]sulfanyl-N-propan-2-yl-ethanamide

Systemtic Name: 2-[6-(1-adamantyl)-3-cyano-4-(trifluoromethyl)pyridin-2-yl]sulfanyl-N-propan-2-yl-ethanamide Openeye Name: 2-[[6-(1-adamantyl)-3-cyano-4-(trifluoromethyl)-2-pyridyl]sulfanyl]-N-isopropyl-acetamide CAS Name: 2-[[6-(1-adamantyl)-3-cyano-4-(trifluoromethyl)-2-pyridinyl]thio]-N-propan-2-ylacetamide IUPAC Name: 2-[6-(1-adamantyl)-3-cyano-4-(trifluoromethyl)pyridin-2-yl]sulfanyl-N-propan-2-ylacetamide Traditional Name: 2-[[6-(1-adamantyl)-3-cyano-4-(trifluoromethyl)-2-pyridyl]thio]-N-isopropyl-acetamide Formula: C22H26F3N3OS MolecularWeight: 437.52155

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)CSC1=C(C(=CC(=N1)C23CC4CC(C2)CC(C4)C3)C(F)(F)F)C#N

Isomeric SMILES

CC(C)NC(=O)CSC1=C(C(=CC(=N1)C23CC4CC(C2)CC(C4)C3)C(F)(F)F)C#N

InChI

InChI=1S/C22H26F3N3OS/c1-12(2)27-19(29)11-30-20-16(10-26)17(22(23,24)25)6-18(28-20)21-7-13-3-14(8-21)5-15(4-13)9-21/h6,12-15H,3-5,7-9,11H2,1-2H3,(H,27,29)